4-amino-N-[5-(butan-2-ylamino)-2-pyridinyl]butanamide

C13H22N4O — CID 82034192

IUPAC4-amino-N-[5-(butan-2-ylamino)-2-pyridinyl]butanamide
SMILESCCC(C)Nc1ccc(NC(=O)CCCN)nc1
InChIInChI=1S/C13H22N4O/c1-3-10(2)16-11-6-7-12(15-9-11)17-13(18)5-4-8-14/h6-7,9-10,16H,3-5,8,14H2,1-2H3,(H,15,17,18)
InChIKeyRLKCMGIJWGAQBJ-UHFFFAOYSA-N
MW250.35 g/mol
LogP1.97
Rot. Bonds7

About 4-amino-N-[5-(butan-2-ylamino)-2-pyridinyl]butanamide

4-amino-N-[5-(butan-2-ylamino)-2-pyridinyl]butanamide (PubChem CID 82034192) has the molecular formula C13H22N4O and a molecular weight of 250.35 g/mol. Its IUPAC name is 4-amino-N-[5-(butan-2-ylamino)-2-pyridinyl]butanamide.

Molecular Properties

Compound Name4-amino-N-[5-(butan-2-ylamino)-2-pyridinyl]butanamide
PubChem CID82034192
Molecular FormulaC13H22N4O
Molecular Weight250.35 g/mol
Exact Mass250.18
IUPAC Name4-amino-N-[5-(butan-2-ylamino)-2-pyridinyl]butanamide
SMILESCCC(C)Nc1ccc(NC(=O)CCCN)nc1
InChIInChI=1S/C13H22N4O/c1-3-10(2)16-11-6-7-12(15-9-11)17-13(18)5-4-8-14/h6-7,9-10,16H,3-5,8,14H2,1-2H3,(H,15,17,18)
InChIKeyRLKCMGIJWGAQBJ-UHFFFAOYSA-N
XLogP1.97
TPSA80.04 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500250.35
LogP ≤ 51.97
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

2-amino-N-[5-(butan-2-ylamino)-2-pyridinyl]acetamide
CID 82034084
N-[5-(butan-2-ylamino)-2-pyridinyl]butanamide
CID 113024217
4-amino-N-[6-(2-methylpropylamino)-3-pyridinyl]butanamide
CID 39179065
N-[5-(butan-2-ylamino)-2-pyridinyl]-2-(2-methylphenyl)acetamide
CID 113024277
N-[5-(butan-2-ylamino)-2-pyridinyl]-2-fluorobenzamide
CID 113024232
N-[6-(pentanoylamino)-3-pyridinyl]pentanamide
CID 649725
4-amino-N-[5-(pyridin-4-ylmethylamino)-2-pyridinyl]butanamide
CID 39187538
2-(2-bromophenyl)-N-[5-(butan-2-ylamino)-2-pyridinyl]acetamide
CID 113024287
4-amino-N-[5-(cyclooctylamino)-2-pyridinyl]butanamide
CID 82034210
2-(3-bromophenyl)-N-[5-(butan-2-ylamino)-2-pyridinyl]acetamide
CID 113024286
N-[5-(butan-2-ylamino)-2-pyridinyl]pyridine-3-carboxamide
CID 113024266
4-amino-N-[5-[2-(4-methoxyphenoxy)ethylamino]-2-pyridinyl]butanamide
CID 82034205

Frequently Asked Questions

What is the IUPAC name of 4-amino-N-[5-(butan-2-ylamino)-2-pyridinyl]butanamide?
The IUPAC name of 4-amino-N-[5-(butan-2-ylamino)-2-pyridinyl]butanamide (CID 82034192) is 4-amino-N-[5-(butan-2-ylamino)-2-pyridinyl]butanamide.
What is the SMILES notation for 4-amino-N-[5-(butan-2-ylamino)-2-pyridinyl]butanamide?
The canonical SMILES for 4-amino-N-[5-(butan-2-ylamino)-2-pyridinyl]butanamide is CCC(C)Nc1ccc(NC(=O)CCCN)nc1.
What is the InChIKey of 4-amino-N-[5-(butan-2-ylamino)-2-pyridinyl]butanamide?
The InChIKey is RLKCMGIJWGAQBJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H22N4O/c1-3-10(2)16-11-6-7-12(15-9-11)17-13(18)5-4-8-14/h6-7,9-10,16H,3-5,8,14H2,1-2H3,(H,15,17,18).
What are the key properties of 4-amino-N-[5-(butan-2-ylamino)-2-pyridinyl]butanamide?
4-amino-N-[5-(butan-2-ylamino)-2-pyridinyl]butanamide has a molecular weight of 250.35 g/mol, XLogP of 1.97, 7 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-amino-N-[5-(butan-2-ylamino)-2-pyridinyl]butanamide is sourced from PubChem (CID 82034192), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).